本数据集“稀土氢化物生产工艺研发过程数据集”主要面向化学科学领域的合成纯度表征等研究，包含一类稀土氢化物（N,N-二甲基乙二胺基桥联双芳氧基氢化钇）的合成工艺开发和表征。该数据集系统整合了研究构建过程中所产生的原始采集数据（生产工艺、表征结果），包括该稀土氢化物的研发过程报告和第三方检测CMA报告，为科研人员开展实验复现、结果验证、性能优化提供了完整的数据支撑。稀土氢化物通过核磁共振氢谱进行了表征，提供的关键信息包括化学位移、耦合常数、积分值。通过对于核磁谱图的解析，确定稀土氢化物的结构特征。基于核磁共振谱图中稀土氢化物的特征信号的积分面积与对应产生共振峰的质子数之间的正比关系，利用已知纯度的标准物质（内标物），确定稀土氢化物的纯度（＞98%）。
", "ds_source": "核磁共振数据的采集过程如下：在手套箱环境中，向J-Young核磁管中加入定量样品，并用约0.6 mL干燥后的氘代苯溶解；随后加入约10 μL均三甲苯作为内标，采用Bruker AV Neo 600型液态超导核磁共振谱仪，在常温条件下对样品进行¹H NMR表征，平行测试两次，原始谱图数据通过MestReNova软件进行还原与处理。
", "ds_process_way": "核磁共振数据采用MestReNova软件进行解析，对“.mnova”格式的原始谱图文件进行处理。通过谱图拟合与峰归属分析，确定目标化合物的结构。基于核磁共振谱图中稀土氢化物的特征信号积分面积与对应共振峰质子数之间的正比关系，以已知纯度的均三甲苯为标准物质，采用核磁定量方法计算稀土氢化物的纯度，结果为大于98%。
", "ds_quality": "", "ds_acq_start_time": "2025-01-01 00:00:00", "ds_acq_end_time": null, "ds_acq_place": "", "ds_acq_lon_east": null, "ds_acq_lat_south": null, "ds_acq_lon_west": null, "ds_acq_lat_north": null, "ds_acq_alt_low": null, "ds_acq_alt_high": null, "ds_share_type": "apply-access", "ds_total_size": 1479644, "ds_files_count": 0, "ds_format": "*.pdf", "ds_space_res": "", "ds_time_res": "", "ds_coordinate": "无", "ds_projection": "", "ds_thumbnail": "56b5e3ce-25f7-4df6-b878-431aef607fb8.png", "ds_thumb_from": 0, "ds_ref_way": "", "paper_ref_way": "", "ds_ref_instruction": "", "ds_from_station": "", "organization_id": "af683ce0-400b-4f2f-9242-f45f0621e11a", "ds_serv_man": "李红星", "ds_serv_phone": "0931-4967592", "ds_serv_mail": "ncdc@lzb.ac.cn", "doi_value": "", "subject_codes": [ "410" ], "quality_level": 0, "publish_time": "2026-05-20 11:57:36", "last_updated": "2026-05-25 11:12:46", "protected": false, "protected_to": null, "lang": "zh", "cstr": "11738.11.ncdc.gcxtsj.db7368.2026", "i18n": { "en": { "title": "Data set of rare earth hydride production process R & D process", "ds_format": "*.pdf", "ds_source": "The process of collecting nuclear magnetic resonance data is as follows: in a glove box environment, add a quantitative sample to a J-Young nuclear magnetic tube and dissolve it in approximately 0.6 mL of dried deuterated benzene; Subsequently, about 10 μ L of trimethylbenzene was added as an internal standard, and the sample was characterized by ¹ H NMR at room temperature using a Bruker AV Neo 600 liquid superconducting nuclear magnetic resonance spectrometer. Two parallel tests were conducted, and the original spectral data was reduced and processed using MestReNova software.
", "ds_quality": "", "ds_ref_way": "", "ds_abstract": "This dataset \"Data Set on Research and Development Process of Rare Earth Hydride Production Process\" is mainly aimed at research on synthetic purity characterization in the field of chemical science, and includes the synthesis of a class of rare earth hydride (N, N-dimethylethylenediamine-bridged bis aryloxyyttrium hydride). Process development and characterization. This dataset system integrates the original collected data (production process, characterization results) generated during the research and construction process, including the research and development process report of the rare earth hydride and the third-party testing CMA report, providing scientific researchers with experimental reproduction and result verification., performance optimization provides complete data support. Rare earth hydride was characterized by 1H nuclear magnetic resonance spectroscopy, providing key information including chemical shifts, coupling constants, and integration values. The structural characteristics of the rare earth hydride were determined by analyzing the nuclear magnetic spectrum. Based on the proportional relationship between the integrated area of the characteristic signal of the rare earth hydride in the nuclear magnetic resonance spectrum and the number of protons corresponding to the resonance peak, the purity of the rare earth hydride (>98%) was determined using a standard material (internal standard) of known purity.
", "ds_time_res": "", "ds_acq_place": "", "ds_space_res": "", "ds_projection": "", "ds_process_way": "The nuclear magnetic resonance data was analyzed using MestReNova software, and the original spectrum files in \". nova\" format were processed. Determine the structure of the target compound through spectral fitting and peak assignment analysis. Based on the proportional relationship between the integrated area of characteristic signals of rare earth hydrides in nuclear magnetic resonance spectra and the corresponding proton number of resonance peaks, using known purity of toluene as the standard substance, the purity of rare earth hydrides was calculated using nuclear magnetic quantification method, and the result was greater than 98%.
", "ds_ref_instruction": "" } }, "submit_center_id": "ncdc", "data_level": 0, "recommendation_value": 0, "license_type": "https://creativecommons.org/licenses/by/4.0/", "doi_reg_from": "reg_local", "cstr_reg_from": "reg_local", "doi_not_reg_reason": null, "cstr_not_reg_reason": null, "is_paper_in_submitting": false, "belong_to_nieer": false, "ds_topic_tags": [ "稀土", "氢化物", "核磁" ], "ds_subject_tags": [ "工程与技术科学基础学科" ], "ds_class_tags": [], "ds_locus_tags": [], "ds_time_tags": [], "ds_contributors": [ { "true_name": "姚英明", "email": "yaoym@suda.edu.cn", "work_for": "苏州大学", "country": "中国" }, { "true_name": "袁丹", "email": "yuandan@suda.edu.cn", "work_for": "苏州大学", "country": "中国" } ], "ds_meta_authors": [ { "true_name": "余钢", "email": "18355650030@163.com", "work_for": "苏州大学", "country": "中国" } ], "ds_managers": [ { "true_name": "袁丹", "email": "yuandan@suda.edu.cn", "work_for": "苏州大学", "country": "中国" } ], "category": "其他" }